Relativistic effects in diatomic molecules. II. Relativistic contributions to binding energy in alkali halide molecules

1976 ◽  
Vol 65 (5) ◽  
pp. 1962-1965 ◽  
Author(s):  
Robert L. Matcha
Keyword(s):  
Binding Energy ◽  
Alkali Halide ◽  
Diatomic Molecules ◽  
Relativistic Effects

On the Modified Form of Rittner's Potential Function

1972 ◽  
Vol 27 (5) ◽  
pp. 781-783 ◽  
Author(s):  
M. M. Patel ◽  
V. B. Gohel
Keyword(s):  
Potential Function ◽  
Alkali Halide ◽  
Diatomic Molecules ◽  
Original Form ◽  
Better Than ◽  
Made In

Abstract The modified form of the Rittner's potential function has been tested in it's ability to reproduce the ωeχe values of alkali halide diatomic molecules. The function has been compared with the original form of Rittner's potential. The comparison of the calculated values of ωeχe with those obtained experimentally shows that the modified form of the Rittner's potential is better than the original one. The reliability of the test made in the present study has been briefly discussed

Potential Energy Curves of Alkali Halide Diatomic Molecules

1972 ◽  
Vol 27 (8-9) ◽  
pp. 1227-1228 ◽  
Author(s):  
M. M. Patel ◽  
V. B. Gohel
Keyword(s):  
Potential Energy ◽  
Potential Function ◽  
Ground State ◽  
Alkali Halide ◽  
Diatomic Molecules ◽  
Potential Energy Curves ◽  
Empirical Potential

Abstract R. K. R. curves have been constructed for the ground state of alkali halide diatomic molecules and compared with the well behaved empirical potential function. It is found that the modified form of Rittner's potential accurately reproduces the R. K. R. curves.

Empirical interionic potentials for alkali halide molecules

1984 ◽  
Vol 62 (6) ◽  
pp. 583-589 ◽  
Author(s):  
J. E. Szymanski ◽  
J. A. D. Matthew
Keyword(s):  
Binding Energy ◽  
Alkali Halide ◽  
Energy Functions ◽  
Gaussian Form ◽  
Potential Energy Functions ◽  
Dissociation Energies ◽  
Anharmonic Constant ◽  
Empirical Potentials ◽  
Repulsion Potential ◽  
Extreme Care

A systematic study of families of empirical internuclear potential energy functions based on the Rittner potential is presented for alkali halide molecules, and comparison is made with recent binding energy and anharmonic constant data. It is concluded that the Rittner formalism, however parameterized, is incapable of consistent prediction of several molecular properties simultaneously, and that the potential seems to be failing to model some aspect of the detailed bonding of the molecule. Inclusion of a Gaussian form of repulsion potential in the model gives excellent agreement for the dissociation energies, but in general extreme care must be taken when applying empirical potentials of the Rittner form to more complex systems such as ionized molecules or clusters.

Structure and Calculation of the Binding Energy of Gaseous Alkali Halide Dimers

1955 ◽  
Vol 23 (6) ◽  
pp. 1175-1176 ◽  
Author(s):  
Chester T. O'Konski ◽  
William I. Higuchi
Keyword(s):  
Binding Energy ◽  
Alkali Halide

Diatomic Molecules and Metallic Adhesion, Cohesion, and Chemisorption: A Single Binding-Energy Relation

1983 ◽  
Vol 50 (18) ◽  
pp. 1385-1386 ◽  
Author(s):  
John Ferrante ◽  
John R. Smith ◽  
James H. Rose
Keyword(s):  
Binding Energy ◽  
Diatomic Molecules ◽  
Energy Relation
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